5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide

C21H23N3O4 — CID 55964822

IUPAC5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3ccccc3NC(=O)NC(C)C)c(C)c2c1
InChIInChI=1S/C21H23N3O4/c1-12(2)22-21(26)24-17-8-6-5-7-16(17)23-20(25)19-13(3)15-11-14(27-4)9-10-18(15)28-19/h5-12H,1-4H3,(H,23,25)(H2,22,24,26)
InChIKeyUZVXIDZBPHZJIA-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.53
Rot. Bonds5

About 5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide

5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 55964822) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide
PubChem CID55964822
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3ccccc3NC(=O)NC(C)C)c(C)c2c1
InChIInChI=1S/C21H23N3O4/c1-12(2)22-21(26)24-17-8-6-5-7-16(17)23-20(25)19-13(3)15-11-14(27-4)9-10-18(15)28-19/h5-12H,1-4H3,(H,23,25)(H2,22,24,26)
InChIKeyUZVXIDZBPHZJIA-UHFFFAOYSA-N
XLogP4.53
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679062
N-(3-acetamido-2-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 134019144
N-[2-(difluoromethoxy)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2667604
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
N-(2-hydroxy-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 17473856
N-(2-amino-2-oxo-1-phenylethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 47017553
N-[(1R)-1-(furan-2-yl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8856762
N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 51155700
N-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 55341391
5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide
CID 78774610
5-methoxy-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide
CID 55711749
N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8909222

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide (CID 55964822) is 5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)Nc3ccccc3NC(=O)NC(C)C)c(C)c2c1.
What is the InChIKey of 5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is UZVXIDZBPHZJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-12(2)22-21(26)24-17-8-6-5-7-16(17)23-20(25)19-13(3)15-11-14(27-4)9-10-18(15)28-19/h5-12H,1-4H3,(H,23,25)(H2,22,24,26).
What are the key properties of 5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide?
5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 4.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55964822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).